CID 13570105

2-(7-methoxynaphthalen-1-yl)acetic acid

Structural Information

Molecular Formula
C13H12O3
SMILES
COC1=CC2=C(C=CC=C2CC(=O)O)C=C1
InChI
InChI=1S/C13H12O3/c1-16-11-6-5-9-3-2-4-10(7-13(14)15)12(9)8-11/h2-6,8H,7H2,1H3,(H,14,15)
InChIKey
GJPYHKXILUFWKV-UHFFFAOYSA-N
Compound name
2-(7-methoxynaphthalen-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

216.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.085916 144.8
[M+Na]+ 239.067858 153.2
[M-H]- 215.071364 148.4
[M+NH4]+ 234.112463 164.0
[M+K]+ 255.041798 150.3
[M+H-H2O]+ 199.075900 138.8
[M+HCOO]- 261.076841 166.3
[M+CH3COO]- 275.092491 186.7
[M+Na-2H]- 237.053306 151.2
[M]+ 216.07809142 146.9
[M]- 216.07918858 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe